N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide

C22H28FN3O2 — CID 67286912

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-5-19-21(22(27)24-13-17-6-8-18(23)9-7-17)15(2)12-20(25-19)26-10-11-28-14-16(26)3/h6-9,12,16H,4-5,10-11,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyABRHWJRZWHRDRG-MRXNPFEDSA-N
MW385.48 g/mol
LogP3.64
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide (PubChem CID 67286912) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide
PubChem CID67286912
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide
SMILESCCCc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-5-19-21(22(27)24-13-17-6-8-18(23)9-7-17)15(2)12-20(25-19)26-10-11-28-14-16(26)3/h6-9,12,16H,4-5,10-11,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyABRHWJRZWHRDRG-MRXNPFEDSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
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2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25123711
6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 52949798

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide (CID 67286912) is N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide is CCCc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide?
The InChIKey is ABRHWJRZWHRDRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-4-5-19-21(22(27)24-13-17-6-8-18(23)9-7-17)15(2)12-20(25-19)26-10-11-28-14-16(26)3/h6-9,12,16H,4-5,10-11,13-14H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 67286912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).